tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate

C8H16FNO2 — CID 89017310

IUPACtert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate
SMILESC[C@@H](CF)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H16FNO2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyLCYJCLXHXXANCJ-LURJTMIESA-N
MW177.22 g/mol
LogP1.87
Rot. Bonds2

About tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate

tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate (PubChem CID 89017310) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate
PubChem CID89017310
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Nametert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate
SMILESC[C@@H](CF)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H16FNO2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyLCYJCLXHXXANCJ-LURJTMIESA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-((1S)-1-cyanoethyl)carbamate
CID 638383
Tert-butyl N-ethylcarbamate
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Tert-butyl N-butylcarbamate
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tert-Butyl (2S)-but-3-yn-2-ylcarbamate
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tert-butyl N-(1,3-diaminopropan-2-yl)carbamate
CID 11084635
tert-Butyl (2-fluoroethyl)carbamate
CID 15356831
tert-Butyl N-cyclopropylcarbamate
CID 15698228
(R)-tert-Butyl but-3-yn-2-ylcarbamate
CID 45092359
tert-butyl N-(1-aminobutan-2-yl)carbamate
CID 14769741
(R)-tert-butyl 1-cyanoethylcarbamate
CID 5479028
CID 155566222
CID 155566222
Tert-butyl isopropylcarbamate
CID 5093479

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate (CID 89017310) is tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate is C[C@@H](CF)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate?
The InChIKey is LCYJCLXHXXANCJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H16FNO2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate has a molecular weight of 177.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate is sourced from PubChem (CID 89017310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).